@MOLECULE 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one 67 72 0 0 0 SMALL GASTEIGER @ATOM 1 C -8.4280 -0.9397 2.4928 C.3 1 UNL111111111 -0.2371 2 N -7.5685 -1.4832 1.4318 N.pl3 1 UNL111111111 -0.4716 3 C -6.4098 -0.8205 1.1420 C.ar 1 UNL111111111 0.2924 4 N -6.0464 0.3384 1.6557 N.ar 1 UNL111111111 -0.4969 5 S -5.2904 -1.4321 -0.1738 S.2 1 UNL111111111 0.0782 6 C -4.3243 0.0251 0.0292 C.ar 1 UNL111111111 -0.2032 7 C -3.1798 0.4179 -0.6452 C.ar 1 UNL111111111 -0.1202 8 C -4.8893 0.8391 1.0436 C.ar 1 UNL111111111 0.1645 9 C -4.2946 2.0563 1.3898 C.ar 1 UNL111111111 -0.1677 10 C -3.1447 2.4398 0.7166 C.ar 1 UNL111111111 -0.1270 11 C -2.5935 1.6345 -0.2942 C.ar 1 UNL111111111 -0.0114 12 C -1.3838 2.0994 -0.9806 C.ar 1 UNL111111111 -0.2221 13 C -0.1088 1.6988 -0.5083 C.ar 1 UNL111111111 0.3269 14 N -0.0191 0.8912 0.6204 N.pl3 1 UNL111111111 -0.6066 15 C -1.4894 2.9442 -2.0847 C.ar 1 UNL111111111 0.1667 16 C -2.8310 3.3069 -2.6248 C.3 1 UNL111111111 -0.4664 17 C -0.3360 3.4491 -2.6972 C.ar 1 UNL111111111 -0.3004 18 C 0.9129 3.0905 -2.2143 C.ar 1 UNL111111111 0.0115 19 C 1.0444 2.2006 -1.1452 C.ar 1 UNL111111111 -0.2932 20 C 2.4203 1.8651 -0.7430 C.2 1 UNL111111111 0.5403 21 O 3.2646 2.7189 -0.5890 O.2 1 UNL111111111 -0.4536 22 C 2.7697 0.4521 -0.5725 C.ar 1 UNL111111111 -0.4331 23 C 2.2116 -0.6499 -1.3542 C.ar 1 UNL111111111 0.5815 24 O 1.4205 -0.7193 -2.2499 O.2 1 UNL111111111 -0.4265 25 N 2.9006 -1.8507 -0.8646 N.ar 1 UNL111111111 -0.3729 26 C 2.1985 -3.0892 -0.7758 C.ar 1 UNL111111111 0.1821 27 C 2.0543 -3.8033 0.4195 C.ar 1 UNL111111111 -0.2250 28 C 1.4360 -5.0506 0.3980 C.ar 1 UNL111111111 -0.1188 29 C 0.9490 -5.5769 -0.7961 C.ar 1 UNL111111111 -0.1781 30 C 1.0697 -4.8465 -1.9783 C.ar 1 UNL111111111 -0.1143 31 C 1.6911 -3.6032 -1.9793 C.ar 1 UNL111111111 -0.1804 32 N 3.6544 -1.4731 0.2954 N.ar 1 UNL111111111 -0.2145 33 C 4.9196 -2.2183 0.4108 C.3 1 UNL111111111 -0.2536 34 C 3.6915 -0.0604 0.3066 C.ar 1 UNL111111111 0.2746 35 C 4.5520 0.6320 1.2617 C.ar 1 UNL111111111 -0.0764 36 C 4.2267 0.6544 2.6187 C.ar 1 UNL111111111 -0.1109 37 C 5.0611 1.3221 3.5129 C.ar 1 UNL111111111 -0.1585 38 C 6.2130 1.9588 3.0526 C.ar 1 UNL111111111 -0.1195 39 C 6.5324 1.9358 1.6958 C.ar 1 UNL111111111 -0.1564 40 C 5.6977 1.2802 0.7936 C.ar 1 UNL111111111 -0.0905 41 H -8.0367 -1.1432 3.5039 H 1 UNL111111111 0.1425 42 H -8.5058 0.1652 2.3903 H 1 UNL111111111 0.1802 43 H -9.4390 -1.3627 2.3928 H 1 UNL111111111 0.1460 44 H -7.6037 -2.4872 1.3165 H 1 UNL111111111 0.3092 45 H -2.7380 -0.1922 -1.4345 H 1 UNL111111111 0.1759 46 H -4.7351 2.6735 2.1699 H 1 UNL111111111 0.1751 47 H -2.6523 3.3806 0.9691 H 1 UNL111111111 0.1674 48 H -0.8604 0.4606 0.9596 H 1 UNL111111111 0.2997 49 H 0.8051 0.3399 0.7443 H 1 UNL111111111 0.2924 50 H -3.4666 3.7635 -1.8504 H 1 UNL111111111 0.1672 51 H -2.7798 4.0119 -3.4640 H 1 UNL111111111 0.1541 52 H -3.3643 2.4120 -2.9834 H 1 UNL111111111 0.1682 53 H -0.4205 4.1177 -3.5471 H 1 UNL111111111 0.1563 54 H 1.8159 3.4971 -2.6791 H 1 UNL111111111 0.1560 55 H 2.4111 -3.3891 1.3602 H 1 UNL111111111 0.1693 56 H 1.3296 -5.6141 1.3232 H 1 UNL111111111 0.1492 57 H 0.4716 -6.5537 -0.8059 H 1 UNL111111111 0.1514 58 H 0.6759 -5.2521 -2.9105 H 1 UNL111111111 0.1551 59 H 1.7813 -3.0273 -2.9028 H 1 UNL111111111 0.1873 60 H 4.6993 -3.2781 0.6370 H 1 UNL111111111 0.1684 61 H 5.5237 -2.1896 -0.5146 H 1 UNL111111111 0.1611 62 H 5.5141 -1.7971 1.2411 H 1 UNL111111111 0.1665 63 H 3.3223 0.1629 2.9767 H 1 UNL111111111 0.1614 64 H 4.8107 1.3512 4.5718 H 1 UNL111111111 0.1540 65 H 6.8601 2.4853 3.7526 H 1 UNL111111111 0.1503 66 H 7.4281 2.4389 1.3364 H 1 UNL111111111 0.1561 67 H 5.9237 1.2876 -0.2737 H 1 UNL111111111 0.1676 @BOND 1 1 2 1 2 1 41 1 3 1 42 1 4 1 43 1 5 2 3 1 6 2 44 1 7 3 4 ar 8 3 5 ar 9 4 8 ar 10 5 6 ar 11 6 7 ar 12 7 11 ar 13 7 45 1 14 8 9 ar 15 8 6 ar 16 9 10 ar 17 9 46 1 18 10 11 ar 19 10 47 1 20 11 12 1 21 12 15 ar 22 12 13 ar 23 13 19 ar 24 14 13 1 25 14 48 1 26 14 49 1 27 15 17 ar 28 16 15 1 29 16 50 1 30 16 51 1 31 16 52 1 32 17 18 ar 33 17 53 1 34 18 54 1 35 19 18 ar 36 19 20 1 37 20 22 1 38 21 20 2 39 22 23 ar 40 22 34 ar 41 23 25 ar 42 24 23 2 43 25 32 ar 44 25 26 1 45 26 31 ar 46 26 27 ar 47 27 28 ar 48 27 55 1 49 28 29 ar 50 28 56 1 51 29 57 1 52 30 29 ar 53 30 58 1 54 31 30 ar 55 31 59 1 56 32 33 1 57 33 60 1 58 33 61 1 59 33 62 1 60 34 35 1 61 34 32 ar 62 35 36 ar 63 36 37 ar 64 36 63 1 65 37 64 1 66 38 37 ar 67 38 65 1 68 39 38 ar 69 39 66 1 70 40 39 ar 71 40 35 ar 72 40 67 1